Cas no 111600-85-2 (2-ethynyl-1,3-thiazole)

2-ethynyl-1,3-thiazole structure
2-ethynyl-1,3-thiazole structure
Product Name:2-ethynyl-1,3-thiazole
CAS No:111600-85-2
MF:C5H3NS
MW:109.149019479752
CID:129327
PubChem ID:11651155
Update Time:2025-04-18

2-ethynyl-1,3-thiazole Chemical and Physical Properties

Names and Identifiers

    • Thiazole, 2-ethynyl-
    • 2-ethynyl-1,3-thiazole
    • 2-(1-ethynyl)-1,3-thiazole
    • 2-Ethynylthiazole
    • ethynylthiazole
    • Thiazole,2-ethynyl
    • 2-Ethynyl-thiazole
    • F2167-2861
    • THIAZOLE,2-ETHYNYL-
    • DTXSID40470001
    • 111600-85-2
    • Z1255400696
    • AKOS026700304
    • Thiazole, 2-ethynyl-
    • MFCD13189814
    • SY153608
    • EN300-135812
    • CHEMBL5195648
    • SCHEMBL577167
    • AB69173
    • G82411
    • Inchi: 1S/C5H3NS/c1-2-5-6-3-4-7-5/h1,3-4H
    • InChI Key: CDFUVXUAFYQGMT-UHFFFAOYSA-N
    • SMILES: S1C=CN=C1C#C

Computed Properties

  • Exact Mass: 108.99900
  • Monoisotopic Mass: 108.99862027g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 102
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • PSA: 41.13000
  • LogP: 1.12440

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